Theoretical studies on redox properties, protonation sites, and electronic spectrum of a new type of polyoxometalate [Ti12Nb6O44]10−by DFT

2009 ◽  
Vol 109 (7) ◽  
pp. 1560-1565 ◽  
Author(s):  
Yan-Ling Si ◽  
Wei-Lin Chen ◽  
En-Bo Wang
Keyword(s):  
Electronic Spectrum ◽  
Redox Properties ◽  
Theoretical Studies ◽  
New Type

Theoretical studies of the electronic spectrum of thioformaldehyde

1982 ◽  
Vol 73 (1-2) ◽  
pp. 83-98 ◽  
Author(s):  
P.G. Burton ◽  
S.D. Peyerimhoff ◽  
R.J. Buenker
Keyword(s):  
Electronic Spectrum ◽  
Theoretical Studies

Theoretical studies of the electronic spectrum of SiF2

1993 ◽  
Vol 178 (1-3) ◽  
pp. 215-221 ◽  
Author(s):  
Z.-L. Cai ◽  
J.-L. Bai
Keyword(s):  
Electronic Spectrum ◽  
Theoretical Studies

Synthesis and non-linear optical and redox properties of 6-nitro-6′-piperidyl-2,2′-bisbenzothiazole: a new type of push–pull molecules

Tetrahedron ◽  
2004 ◽  
Vol 60 (2) ◽  
pp. 285-289 ◽  
Author(s):  
Francisco López-Calahorra ◽  
Mariano Martı́nez-Rubio ◽  
Dolores Velasco ◽  
Enric Brillas ◽  
Lluı́s Julià
Keyword(s):  
Redox Properties ◽  
Non Linear ◽  
New Type ◽  
Linear Optical

Thermodynamic characterization of the redox centres in a representative domain of a novel c-type multihaem cytochrome

2009 ◽  
Vol 420 (3) ◽  
pp. 485-492 ◽  
Author(s):  
Leonor Morgado ◽  
Ana P. Fernandes ◽  
Yuri Y. Londer ◽  
P. Raj Pokkuluri ◽  
Marianne Schiffer ◽  
...  
Keyword(s):  
Dominant Role ◽  
Redox Properties ◽  
Geobacter Sulfurreducens ◽  
Thermodynamic Characterization ◽  
Reduction Potentials ◽  
New Type ◽  
Uv Visible ◽  
Cytochrome C7 ◽  
The Individual

Multihaem cytochromes that could form protein “nanowires” were identified in the Geobacter sulfurreducens genome, and represent a new type of multihaem cytochrome. The sequences of these proteins, two with 12 haems (GSU1996, GSU0592) and one with 27 haems (GSU2210), suggest that they are formed with domains homologous to the trihaem cytochrome c7. Although all three haems have bis-His co-ordination in cytochromes c7, in each domain of the above polymers, the haem equivalent to haem IV has His-Met co-ordination. We previously determined the structure and measured the macroscopic redox potential of one representative domain (domain C) of a dodecahaem cytochrome (GSU1996). In the present study, the microscopic redox properties of the individual haem groups of domain C were determined using NMR and UV–visible spectroscopies. The reduction potentials of the haems for the fully reduced and protonated protein are different from each other (haem I, −106 mV; haem III, −136 mV; and haem IV, −125 mV) and are strongly modulated by redox interactions. This result is rather surprising since the His-Met co-ordinated haem IV does not have the highest potential as was expected. The polypeptide environment of each haem group and the strong haem pairwise redox interactions must play a dominant role in controlling the individual haem potentials. The strong redox interactions between the haems extend the range of their operating potentials at physiological pH (haem I, −71 mV, haem III, −146 mV and haem IV, −110 mV). Such a modulation in haem potentials is likely to have a functional significance in the metabolism of G. sulfurreducens.

Aqueous Chemistry of High-Valent Manganese. Structure, Magnetic, and Redox Properties of a New Type of Mn-Oxo Cluster, [Mn4IVO4(bpy)6]4+: Relevance to the Oxygen Evolving Center in Plants

1994 ◽  
Vol 116 (19) ◽  
pp. 8557-8565 ◽  
Author(s):  
Christian Philouze ◽  
Genevieve Blondin ◽  
Jean-Jacques Girerd ◽  
Jean Guilhem ◽  
Claudine Pascard ◽  
...  
Keyword(s):  
Redox Properties ◽  
Aqueous Chemistry ◽  
New Type ◽  
High Valent ◽  
Oxygen Evolving
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